3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)-4-methoxybenzamide

C13H17Cl2NO3 — CID 115771926

IUPAC3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)-4-methoxybenzamide
SMILESCCN(CCCO)C(=O)c1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO3/c1-3-16(5-4-6-17)13(18)9-7-10(14)12(19-2)11(15)8-9/h7-8,17H,3-6H2,1-2H3
InChIKeyTXGMLIZGZTYFGU-UHFFFAOYSA-N
MW306.19 g/mol
LogP2.85
Rot. Bonds6

About 3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)-4-methoxybenzamide

3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)-4-methoxybenzamide (PubChem CID 115771926) has the molecular formula C13H17Cl2NO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is 3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)-4-methoxybenzamide
PubChem CID115771926
Molecular FormulaC13H17Cl2NO3
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC Name3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)-4-methoxybenzamide
SMILESCCN(CCCO)C(=O)c1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO3/c1-3-16(5-4-6-17)13(18)9-7-10(14)12(19-2)11(15)8-9/h7-8,17H,3-6H2,1-2H3
InChIKeyTXGMLIZGZTYFGU-UHFFFAOYSA-N
XLogP2.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate
CID 61383603
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499
3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107318553
3,4,5-trichloro-N,N-diethylbenzamide
CID 50849492
N,4-diethyl-N-(3-hydroxypropyl)benzamide
CID 115771638
N-butyl-2,6-dichloro-N-ethylpyridine-4-carboxamide
CID 43090789
5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 115772011
5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide
CID 115771703
2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-methylsulfanylbenzamide
CID 113339473
4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772047
3,5-dichloro-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 55717517
N-butyl-3,4-dichloro-N-ethyl-5-nitrobenzamide
CID 43215514

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)-4-methoxybenzamide (CID 115771926) is 3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)-4-methoxybenzamide is CCN(CCCO)C(=O)c1cc(Cl)c(OC)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)-4-methoxybenzamide?
The InChIKey is TXGMLIZGZTYFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3/c1-3-16(5-4-6-17)13(18)9-7-10(14)12(19-2)11(15)8-9/h7-8,17H,3-6H2,1-2H3.
What are the key properties of 3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)-4-methoxybenzamide?
3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)-4-methoxybenzamide has a molecular weight of 306.19 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)-4-methoxybenzamide is sourced from PubChem (CID 115771926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).